Nano Science and Technology Institute
Nanotech 2011 Vol. 2
Nanotech 2011 Vol. 2
Nanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
 
Chapter 9: Nano & Micro: Computational Methods, Simulation & Software Tools
 

Smectic structure of Nano Crystalline Cellulose Established by Large-Scale Parallel Molecular Dynamic Simulations

Authors:Y. Kadiri, D. Simon, G. Picard
Affilation:Ahuntsic College, CA
Pages:631 - 634
Keywords:nano crystalline cellulose, structural and optical properties, large-scale parallel molecular dynamics
Abstract:Structural and optical properties of Nano Crystalline Cellulose (NCC) in liquid solutions and in solid films were investigated by large-scale parallel molecular dynamics (MD) simulation using empirical Coulombian interaction potentials. Our calculations give a good description of the self-organization of NCC in liquid solution and in solid films and allow us to question the NCC nematic structure theory and propose an alternative structure theory.
Smectic structure of Nano Crystalline Cellulose Established by Large-Scale Parallel Molecular Dynamic SimulationsView PDF of paper
ISBN:978-1-4398-7139-3
Pages:854
Hardcopy:$199.95
 
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